Molecular <scp>MC</scp>–<scp>SCF</scp> calculations

Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction

1955 • 3,424 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

Localized Atomic and Molecular Orbitals

1963 • 1,526 citations

Some Recent Advances in Density Matrix Theory

1960 • 1,428 citations

Canonical Configurational Interaction Procedure

1960 • 1,309 citations

Quantum theory of atoms, molecules, and the solid state

1966 • 1,064 citations

Molecular Orbitals in Chemistry Physics and Biology

1965 • 774 citations

Extended Hartree—Fock Wavefunctions: Optimized Valence Configurations for H2 and Li2, Optimized Double Configurations for F2

1966 • 422 citations

Generalized brillouin theorem for multiconfigurational <scp>SCF</scp> theories

1968 • 322 citations

Correlation Energy in Atomic Systems. V. Degeneracy Effects for the Second-Row Atoms

1968 • 296 citations

Direct Determination of Natural Orbitals and Natural Expansion Coefficients of Many-Electron Wavefunctions. I. Natural Orbitals in the Geminal Product Approximation

1964 • 235 citations

Uniform Localization of Atomic and Molecular Orbitals. I

1967 • 175 citations

Multi-Configuration Self-Consistent-Field Theory

1967 • 173 citations

Correlation Energy in Atomic Systems. IV. Degeneracy Effects

1966 • 169 citations

A Quantum Variational Calculation for HCHO

1960 • 166 citations

Complete multi-configuration self-consistent field theory

1967 • 164 citations

A Generalized Self-Consistent Field Method

1953 • 145 citations

Extended Hartree—Fock Ground-State Wavefunctions for the Lithium Molecule

1967 • 131 citations

The orthogonality constrained basis set expansion method for treating off-diagonal lagrange multipliers in calculations of electronic wave functions

1969 • 121 citations

On the basis of orbital theories

1955 • 120 citations

Atomic Multiconfiguration Self-Consistent-Field Wavefunctions

1969 • 98 citations

Uniform Localization of Atomic and Molecular Orbitals. II

1968 • 82 citations

Extended Hartree—Fock Wavefunctions: General Theory of Optimized-Valence Configurations and Its Application to Diatomic Molecules

1967 • 70 citations

Multi-configuration self-consistent wavefunctions of formaldehyde

1969 • 65 citations

Notes on iterative processes

1949 • 54 citations

Recalculation of Formaldehyde Wavefunctions

1966 • 47 citations

Orbital Self-Consistent-Field Theory. I. General Theory for Multiconfigurational Wave Functions

1967 • 44 citations

Generalized Brillouin theorem for multiconfigurational SCF theories

1969 • 37 citations

Multi-configuration SCF calculations

1968 • 33 citations

Calculation of Energy Levels Which Arise from the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi>p</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:mrow></mml:math>Configuration of the Ground State of Carbon. Multiconfiguration Hartree-Fock Calculations

1968 • 33 citations

炭素の基底状態のp2配置から生ずるエネルギー準位の計算.多重配置ハートリ一ーフォック(MCHF)計算

1968 • 16 citations